Crystallography Open Database

Information card for entry 2217738

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Structure parameters

Chemical name	<i>trans</i>-Carbonylchloridobis(tri-<i>p</i>-tolylphosphine)rhodium(I) acetone solvate
Formula	C46 H48 Cl O2 P2 Rh
Calculated formula	C46 H48 Cl O2 P2 Rh
SMILES	c1(ccc(cc1)C)[P](c1ccc(cc1)C)(c1ccc(cc1)C)[Rh](C#[O])([P](c1ccc(cc1)C)(c1ccc(cc1)C)c1ccc(cc1)C)Cl.C(=O)(C)C
Title of publication	<i>trans</i>-Carbonylchloridobis(tri-<i>p</i>-tolylphosphine)rhodium(I) acetone solvate
Authors of publication	Lorenzini, Fabio; Patrick, Brian O.; James, Brian R.
Journal of publication	Acta Crystallographica Section E
Year of publication	2008
Journal volume	64
Journal issue	3
Pages of publication	m464 - m465
a	10.784 ± 0.002 Å
b	12.859 ± 0.003 Å
c	17.086 ± 0.003 Å
α	70.852 ± 0.007°
β	84.79 ± 0.007°
γ	71.012 ± 0.006°
Cell volume	2116.1 ± 0.7 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0858
Residual factor for significantly intense reflections	0.0473
Weighted residual factors for significantly intense reflections	0.0996
Weighted residual factors for all reflections included in the refinement	0.1149
Goodness-of-fit parameter for all reflections included in the refinement	0.999
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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